3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea

C15H21ClN2O — CID 108897626

IUPAC3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-18(13-8-3-2-4-9-13)15(19)17-11-12-7-5-6-10-14(12)16/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyQUOYGXLWBCAIJX-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.81
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea

3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea (PubChem CID 108897626) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
PubChem CID108897626
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)NCc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-18(13-8-3-2-4-9-13)15(19)17-11-12-7-5-6-10-14(12)16/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyQUOYGXLWBCAIJX-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 166712612
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N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108506051
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108904598
N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 55170845
1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 75381169
3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
CID 20901318

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea (CID 108897626) is 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea is CN(C(=O)NCc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea?
The InChIKey is QUOYGXLWBCAIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-18(13-8-3-2-4-9-13)15(19)17-11-12-7-5-6-10-14(12)16/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,17,19).
What are the key properties of 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea?
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea has a molecular weight of 280.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea is sourced from PubChem (CID 108897626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).